CID 163408245

1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-olate

Structural Information

Molecular Formula
C9HF17O
SMILES
C(=C(C(F)(F)F)O)(C(C(F)(F)F)(C(F)(F)F)F)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C9HF17O/c10-3(6(15,16)17,7(18,19)20)1(2(27)5(12,13)14)4(11,8(21,22)23)9(24,25)26/h27H
InChIKey
SDVYANXQEWXRTA-UHFFFAOYSA-N
Compound name
1,1,1,4,5,5,5-heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.9756 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.982876 181.4
[M+Na]+ 470.964818 166.2
[M-H]- 446.968324 166.4
[M+NH4]+ 466.009423 167.9
[M+K]+ 486.938758 186.9
[M+H-H2O]+ 430.972860 166.5
[M+HCOO]- 492.973801 175.7
[M+CH3COO]- 506.989451 224.9
[M+Na-2H]- 468.950266 181.2
[M]+ 447.97505142 155.7
[M]- 447.97614858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.